| SpectraBase Compound ID | 9zEX9uWpMFc |
|---|---|
| InChI | InChI=1S/C18H24O4/c1-12-9-14(11-18(3,4)10-12)22-17(20)15-7-5-6-8-16(15)21-13(2)19/h5-8,12,14H,9-11H2,1-4H3 |
| InChIKey | IBNMWGITXDVFJP-UHFFFAOYSA-N |
| Mol Weight | 304.39 g/mol |
| Molecular Formula | C18H24O4 |
| Exact Mass | 304.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HSdY9PM5iQa |
|---|---|
| Name | 3,3,5-Trimethylcyclohexyl 2-acetoxybenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.167459249 u |
| Formula | C18H24O4 |
| InChI | InChI=1S/C18H24O4/c1-12-9-14(11-18(3,4)10-12)22-17(20)15-7-5-6-8-16(15)21-13(2)19/h5-8,12,14H,9-11H2,1-4H3 |
| InChIKey | IBNMWGITXDVFJP-UHFFFAOYSA-N |
| SMILES | C1=C(C(C(=O)OC2CC(C)(C)CC(C2)C)=CC=C1)OC(C)=O |